4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline

C32H34N2 — CID 163723844

IUPAC4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
SMILESCCc1ccc2c(c1)c1cc(CCC(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C32H34N2/c1-5-24-13-19-31-29(21-24)30-22-25(12-11-23(2)3)14-20-32(30)34(31)28-17-15-27(16-18-28)33(4)26-9-7-6-8-10-26/h6-10,13-23H,5,11-12H2,1-4H3
InChIKeyKTXLZEIQKGKDKC-UHFFFAOYSA-N
MW446.64 g/mol
LogP8.70
Rot. Bonds7

About 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline

4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline (PubChem CID 163723844) has the molecular formula C32H34N2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
PubChem CID163723844
Molecular FormulaC32H34N2
Molecular Weight446.64 g/mol
Exact Mass446.27
IUPAC Name4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
SMILESCCc1ccc2c(c1)c1cc(CCC(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C32H34N2/c1-5-24-13-19-31-29(21-24)30-22-25(12-11-23(2)3)14-20-32(30)34(31)28-17-15-27(16-18-28)33(4)26-9-7-6-8-10-26/h6-10,13-23H,5,11-12H2,1-4H3
InChIKeyKTXLZEIQKGKDKC-UHFFFAOYSA-N
XLogP8.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 157255945
4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858265
4-[3,6-bis(2-methylpropyl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-ditert-butylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 161364228
4-[3,6-bis(2-methylpropyl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-ditert-butylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 157060893
4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858222
6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850679
4-(4-carbazol-9-ylphenyl)-N-[4-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-diethylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 160593676
6-ethyl-N-[4-[(E)-2-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;bis(6-methyl-N-[4-[(E)-2-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine)
CID 159236150
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
CID 163570430
N,6-dimethyl-N,9-diphenylcarbazol-3-amine;ethylbenzene;9-ethylcarbazole;9-ethyl-3-methylcarbazole
CID 144918431
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline?
The IUPAC name of 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline (CID 163723844) is 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline?
The canonical SMILES for 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline is CCc1ccc2c(c1)c1cc(CCC(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline?
The InChIKey is KTXLZEIQKGKDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2/c1-5-24-13-19-31-29(21-24)30-22-25(12-11-23(2)3)14-20-32(30)34(31)28-17-15-27(16-18-28)33(4)26-9-7-6-8-10-26/h6-10,13-23H,5,11-12H2,1-4H3.
What are the key properties of 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline?
4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline has a molecular weight of 446.64 g/mol, XLogP of 8.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 163723844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).